Geometry & MOs

Info

ID:	188670
PubChem CID:	77752342
Reduced:	N3O5C32H41 (1)
Stoich.:	A3B5C32D41 (1)
Weight, g/mol:	616.256685
ΔH_f, kcal/mol:	-186.92
Dipole, Da:	3.35
IP(EA), eV:	-9.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(1,3-benzoxazol-2-yl)-1-oxohexan-2-yl]-(3-benzylsulfonylpropanoyl)amino]-1,1-bis(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(=O)NC(CCC2=CC=CC=C2)C(C3=NC4=CC=CC=C4O3)O)NC(=O)C5CCOCC5

DOS

IR

Vibrations